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	hartrees
Energy at 0K	-635.062129
Energy at 298.15K	-635.062797
HF Energy	-635.062129
Nuclear repulsion energy	111.309518

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1095	1048	76.11
2	A'	633	606	123.92
3	A'	325	311	7.73

Atom	x (Å)	y (Å)
F1	-1.196	-0.728
Cl2	0.000	0.459
O3	1.345	-0.157

	F1	Cl2	O3
F1		1.6851	2.6044
Cl2	1.6851		1.4798
O3	2.6044	1.4798

Number	Element	Mulliken
1	F	-0.285
2	Cl	0.619
3	O	-0.334

All results from a given calculation for FClO (chlorosyl fluoride)

using model chemistry: B3PW91/6-311+G(3df,2p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-0.723	1.732	0.000	1.877
CHELPG
AIM
ESP

	x	y	z
x	4.774	0.259	0.000
y	0.259	3.128	0.000
z	0.000	0.000	2.440

<r²>	50.187
(<r²>)^1/2	7.084